Vitas-M small molecule compound
(6E)-6-{[1-(3-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2-(ethylsulfanyl)-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STL224480
SMILES CCSc1nn2c(=NC(=O)/C(=C/c3cc(n(c3C)c3cccc(c3)Cl)C)/C2=N)s1
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C20H18ClN5OS2 MW 443.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18ClN5OS2/c1-4-28-20-24-26-17(22)16(18(27)23-19(26)29-20)9-13-8-11(2)25(12(13)3)15-7-5-6-14(21)10-15/h5-10,22H,4H2,1-3H3/b16-9+,22-17-InChIKey
CRTLALLMLZFJIT-KVVHFTJNSA-NSynonyms
844649-85-0(6E)6((1(3chlorophenyl)25dimethyl1Hpyrrol3yl)methylidene)2(ethylsulfanyl)5imino56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(E)6((1(3chlorophenyl)25dimethyl1Hpyrrol3yl)methylene)2(ethylthio)5imino5H(134)thiadiazolo(32a)pyrimidin7(6H)one
844649850
CCSc1nn2c(=NC(=O)C(=Cc3cc(n(c3C)c3cccc(c3)Cl)C)C2=N)s1
MFCD04158986
ZINC000009193108
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